Basic information
- Standard SMILES
C#CC(C)(O)Cc1cncc(C2CCCN2C(=O)OC(C)(C)C)c1- InChIKey
UQZZUCMGOJBBOE-UHFFFAOYSA-N- Molecular formula
- C19H26N2O3
- Average molar mass
- 330.4 g/mol
Names & identifiers
- Preferred name
- 5-(2-Hydroxy-2-methyl-3-butynyl)-3-(1-tert-butyloxycarbonyl-2-pyrrolidinyl)pyridine
- IUPAC
- tert-butyl 2-[5-(2-hydroxy-2-methylbut-3-ynyl)-3-pyridinyl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL6972224UQZZUCMGOJBBOE-UHFFFAOYSA-N5-(2-Hydroxy-2-methyl-3-butynyl)-3-(1-tert -butyloxycarbonyl-2-pyrrolidinyl)pyridine5-(2-hydroxy-2-methyl-3-butynyl)-3-(1-tert-butyloxycarbonyl-2-pyrrolidinyl)pyridine
Database identifiers
- PubChem CID
- 19694323
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 504
Related reactions
10 records
Linked notes
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